2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazole

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazole Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-(4-thiomorpholin-4-iumylmethyl)oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,3-oxazole Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-(thiomorpholin-4-ium-4-ylmethyl)oxazole Formula: C16H18ClN2O3S+ MolecularWeight: 353.84372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCSCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCSCC4

InChI

InChI=1S/C16H17ClN2O3S/c1-10-13(8-19-2-4-23-5-3-19)18-16(22-10)11-6-14-15(7-12(11)17)21-9-20-14/h6-7H,2-5,8-9H2,1H3/p+1